نتایج جستجو برای: intermolecular mechanics

تعداد نتایج: 152061  

Journal: :Acta Crystallographica Section A Foundations of Crystallography 2008

Journal: :Journal of the Japanese Society of Starch Science 1979

Journal: :Acta Crystallographica Section A Foundations of Crystallography 2000

Journal: :Journal of Advanced Pharmaceutical Science And Technology 2014

Journal: :The journal of physical chemistry. B 2006
Nicholas E Singh-Miller Damian A Scherlis Nicola Marzari

The functionality of conjugated polymer systems often relies on oxidations or reductions, in most cases mediated by the presence of counterions. The effect that the common counterion hexafluorophosphate (PF6-) has on the intermolecular interactions between charged oligothiophenes is investigated here using ab initio quantum chemistry methods. Counterions are explicitly included in the simulatio...

Journal: :The Journal of chemical physics 2009
Hongtao Bian Wei Zhao Junrong Zheng

Ultrafast two dimensional infrared (2D IR) spectroscopy has been applied to probe the intermolecular vibrational energy exchange between two model molecules, benzonitrile and acetonitrile-(d3). The vibrational energy exchange between these two molecules is manifested through the growth of cross peaks in their 2D IR spectra. In experiments, their nitrile groups (CN) are not involved in the energ...

Journal: :Journal of biomolecular NMR 2015
Benjamin J Wylie Boris G Dzikovski Shane Pawsey Marc Caporini Melanie Rosay Jack H Freed Ann E McDermott

We demonstrate that dynamic nuclear polarization of membrane proteins in lipid bilayers may be achieved using a novel polarizing agent: pairs of spin labels covalently bound to a protein of interest interacting at an intermolecular interaction surface. For gramicidin A, nitroxide tags attached to the N-terminal intermolecular interface region become proximal only when bimolecular channels forms...

Journal: :Journal of Synthetic Organic Chemistry, Japan 2014

Journal: :Progress of Theoretical Physics Supplement 1967

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